SCHEMBL9765272

SCHEMBL9765272

Cc1cc(C)c(S(=O)(=O)NCC(C)c2ccc(OCC(=O)O)cc2)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ FABP4 P15090 1/20 0.46
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ADRB3 P13945 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10701921 0.83 ALDH1A1 (0.56) ALDH1A1TSHRPOLBTP53L3MBTL1
SCHEMBL9512047 0.78 IDO1 (0.60) ALDH1A1TSHRSMN1; SMN2TBXA2RTBXAS1
SCHEMBL9510767 0.78 ALDH1A1 (0.54) ALDH1A1TSHRGAALMNAMAPT
SCHEMBL9765316 0.78 ALDH1A1 (0.54) ALDH1A1TSHRLMNASMN1; SMN2TBXA2R
SCHEMBL7920711 0.77 FABP4 (0.50) ALDH1A1TSHRPOLBGAAFABP4
SCHEMBL9765328 0.76 RAB9A (0.51) ALDH1A1TSHRPOLBGAAADRB3
SCHEMBL10703755 0.75 CA1 (0.55) ALDH1A1TSHRSMN1; SMN2MAPTTBXA2R
SCHEMBL9765333 0.73 ALDH1A1 (0.66) ALDH1A1TSHRSMN1; SMN2MAPTMAPK1
SCHEMBL17296536 0.72 FABP4 (0.65) ALDH1A1TSHRPOLBGAAFABP4
SCHEMBL9765332 0.71 SMN1; SMN2 (0.58) ALDH1A1TSHRPOLBGAALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 — — EP disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 — — US disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 — — EP disclosed
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